2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C20H22N4O2 — CID 7993181

IUPAC2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-14-4-5-15(2)19(10-14)26-11-20(25)23-16(3)17-6-8-18(9-7-17)24-13-21-12-22-24/h4-10,12-13,16H,11H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyKAOGTINYNPUDOY-MRXNPFEDSA-N
MW350.42 g/mol
LogP3.14
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 7993181) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID7993181
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-14-4-5-15(2)19(10-14)26-11-20(25)23-16(3)17-6-8-18(9-7-17)24-13-21-12-22-24/h4-10,12-13,16H,11H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyKAOGTINYNPUDOY-MRXNPFEDSA-N
XLogP3.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
2-(4-bromo-2-fluorophenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 27864454
2-(2-benzylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41103412
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864416
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864417
2-(4-phenoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 134011978
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51197686
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47046813
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 7993181) is 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is KAOGTINYNPUDOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-4-5-15(2)19(10-14)26-11-20(25)23-16(3)17-6-8-18(9-7-17)24-13-21-12-22-24/h4-10,12-13,16H,11H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 7993181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).